3-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

Formula:C16H12N3OBrS Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is not a drug-like molecule.

MolName	3-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
MolecularFormula	C16H12N3OBrS
Smiles	Oc1cccc(/C=N\Nc2nc(-c(cc3)ccc3Br)cs2)c1
InChI	InChI=1S/C16H12BrN3OS/c17-13-6-4-12(5-7-13)15-10-22-16(19-15)20-18-9-11-2-1-3-14(21)8-11/h1-10,21H,(H,19,20)
InChIK	FPLAJPBTPPXLDB-UHFFFAOYSA-N
TotalMolweight	374.261
Molweight	374.261
MonoisotopicMass	372.988443
CLogP	6.5959
CLogS	-5.198
H Acceptors	4
H Donors	2
TotalSurfaceArea	248.68
Relative PSA	0.27103
PolarSurfaceArea	85.75
Druglikeness	2.0867
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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